3-Pentynoyl-S-Pantetheine-11-Pivalate
[CAS# 119072-37-6]

Identification

• Name: 3-Pentynoyl-S-Pantetheine-11-Pivalate
• Synonyms: 2,2-Dimethylpropanoic Acid [(3R)-3-Hydroxy-2,2-Dimethyl-4-Oxo-4-[[3-Oxo-3-[2-(1-Oxopent-3-Ynylthio)Ethylamino]Propyl]Amino]Butyl] Ester; 2,2-Dimethylpropionic Acid [(3R)-3-Hydroxy-4-Keto-4-[[3-Keto-3-[2-(Pent-3-Ynoylthio)Ethylamino]Propyl]Amino]-2,2-Dimethyl-Butyl] Ester; Propanoic Acid, 2,2-Dimethyl-, 3-Hydroxy-2,2-Dimethyl-4-Oxo-4-((3-Oxo-3-((2-((1-Oxo-3-Pentynyl)Thio)Ethyl)Amino)Propyl)Amino)Butyl Ester, (R)-
• Molecular Formula: C₂₁H₃₄N₂O₆S
• Molecular Weight: 442.57
• CAS Registry Number: 119072-37-6
• SMILES: [C@@H](C(COC(C(C)(C)C)=O)(C)C)(C(NCCC(NCCSC(CC#CC)=O)=O)=O)O
• InChI: 1S/C21H34N2O6S/c1-7-8-9-16(25)30-13-12-22-15(24)10-11-23-18(27)17(26)21(5,6)14-29-19(28)20(2,3)4/h17,26H,9-14H2,1-6H3,(H,22,24)(H,23,27)/t17-/m0/s1
• InChIKey: QIPZFAJEWGKKJV-KRWDZBQOSA-N